Structure Database (LMSD)
Common Name
11-Cyclohexylundecanoic acid
Systematic Name
11-Cyclohexylundecanoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WFTPSUGFEZHCGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
SMILES (Click to copy)
C1CC(CCCCCCCCCCC(=O)O)CCC1
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
305.24
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.55
Molar Refractivity
80.38
Admin
Created at
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Updated at
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